CID 291785

2-hydroxy-3-methyl-5-(methylthio)-benzyl alcohol

Structural Information

Molecular Formula
C9H12O2S
SMILES
CC1=CC(=CC(=C1O)CO)SC
InChI
InChI=1S/C9H12O2S/c1-6-3-8(12-2)4-7(5-10)9(6)11/h3-4,10-11H,5H2,1-2H3
InChIKey
KXBVWXBKFNILQH-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-methyl-4-methylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

184.0558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06308 136.1
[M+Na]+ 207.04502 145.3
[M-H]- 183.04852 138.0
[M+NH4]+ 202.08962 156.0
[M+K]+ 223.01896 141.6
[M+H-H2O]+ 167.05306 131.3
[M+HCOO]- 229.05400 152.7
[M+CH3COO]- 243.06965 177.4
[M+Na-2H]- 205.03047 138.1
[M]+ 184.05525 138.4
[M]- 184.05635 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe